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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SYK' and Ligand = 'BDBM50431380'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431380
PNG
(CHEMBL2347407)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2c(cccc12)C(C)(C)O
Show InChI InChI=1S/C21H24N6O2/c1-20(2,3)25-19(28)12-9-22-18-17(12)24-14(10-23-18)16-11-7-6-8-13(21(4,5)29)15(11)26-27-16/h6-10,29H,1-5H3,(H,22,23)(H,25,28)(H,26,27)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431380
PNG
(CHEMBL2347407)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2c(cccc12)C(C)(C)O
Show InChI InChI=1S/C21H24N6O2/c1-20(2,3)25-19(28)12-9-22-18-17(12)24-14(10-23-18)16-11-7-6-8-13(21(4,5)29)15(11)26-27-16/h6-10,29H,1-5H3,(H,22,23)(H,25,28)(H,26,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human Ramos cells


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50431380
PNG
(CHEMBL2347407)
Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2c(cccc12)C(C)(C)O
Show InChI InChI=1S/C21H24N6O2/c1-20(2,3)25-19(28)12-9-22-18-17(12)24-14(10-23-18)16-11-7-6-8-13(21(4,5)29)15(11)26-27-16/h6-10,29H,1-5H3,(H,22,23)(H,25,28)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 534n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human whole blood


J Med Chem 56: 1677-92 (2013)


Article DOI: 10.1021/jm301720p
BindingDB Entry DOI: 10.7270/Q22N53M0
More data for this
Ligand-Target Pair